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89258-55-9 | 4(3H)-Quinazolinone, 3-amino-6,8-dibromo-2-phenyl-
CAS No: 89258-55-9 Catalog No: AG0041Z2 MDL No:
Product Description
Catalog Number:
AG0041Z2
Chemical Name:
4(3H)-Quinazolinone, 3-amino-6,8-dibromo-2-phenyl-
CAS Number:
89258-55-9
Molecular Formula:
C14H9Br2N3O
Molecular Weight:
395.0488
IUPAC Name:
3-amino-6,8-dibromo-2-phenylquinazolin-4-one
InChI:
InChI=1S/C14H9Br2N3O/c15-9-6-10-12(11(16)7-9)18-13(19(17)14(10)20)8-4-2-1-3-5-8/h1-7H,17H2
InChI Key:
SFBJDXRAHRTXDT-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)c1ccccc1)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.909g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.054g/mol
Monoisotopic Mass:
392.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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